N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide

Systemtic Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide Openeye Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide CAS Name: 4-(1-oxopropylamino)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-4-(propanoylamino)benzamide Traditional Name: N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-4-propionamido-benzamide Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20N4O2S/c1-2-17(25)21-16-11-9-15(10-12-16)19(26)22-20-24-23-18(27-20)13-8-14-6-4-3-5-7-14/h3-7,9-12H,2,8,13H2,1H3,(H,21,25)(H,22,24,26)